methylcarbamic acid;methyl N-(3-hydroxyphenyl)carbamate

C10H14N2O5 — CID 23619088

IUPACmethylcarbamic acid;methyl N-(3-hydroxyphenyl)carbamate
SMILESCNC(=O)O.COC(=O)Nc1cccc(O)c1
InChIInChI=1S/C8H9NO3.C2H5NO2/c1-12-8(11)9-6-3-2-4-7(10)5-6;1-3-2(4)5/h2-5,10H,1H3,(H,9,11);3H,1H3,(H,4,5)
InChIKeyABKAVDOCKWZTEP-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.45
Rot. Bonds1

About methylcarbamic acid;methyl N-(3-hydroxyphenyl)carbamate

methylcarbamic acid;methyl N-(3-hydroxyphenyl)carbamate (PubChem CID 23619088) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is methylcarbamic acid;methyl N-(3-hydroxyphenyl)carbamate.

Molecular Properties

Compound Namemethylcarbamic acid;methyl N-(3-hydroxyphenyl)carbamate
PubChem CID23619088
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Namemethylcarbamic acid;methyl N-(3-hydroxyphenyl)carbamate
SMILESCNC(=O)O.COC(=O)Nc1cccc(O)c1
InChIInChI=1S/C8H9NO3.C2H5NO2/c1-12-8(11)9-6-3-2-4-7(10)5-6;1-3-2(4)5/h2-5,10H,1H3,(H,9,11);3H,1H3,(H,4,5)
InChIKeyABKAVDOCKWZTEP-UHFFFAOYSA-N
XLogP1.45
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

methylcarbamic acid;prop-2-ynyl N-(3-hydroxyphenyl)carbamate
CID 23619616
2-hydroxyethyl N-(3-hydroxyphenyl)carbamate
CID 79345264
O-methyl N-(3-hydroxyphenyl)carbamothioate
CID 130011052
methyl N-(3-chlorophenyl)carbamate
CID 16529
N-(3-hydroxyphenyl)-N'-(3-methylphenyl)oxamide
CID 10445826
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794
CID 68594224
CID 68594224
2-phenoxyethyl N-(3-hydroxyphenyl)carbamate
CID 139715233
methyl 2-[(3-hydroxyphenyl)carbamoylamino]acetate
CID 108895907
N,N'-bis(3-hydroxyphenyl)but-2-enediamide
CID 754651
N-[4-[(3-hydroxyphenyl)carbamoylamino]phenyl]acetamide
CID 108895676
(2R)-2-hydroxy-N-(3-hydroxyphenyl)propanamide
CID 130735484

Frequently Asked Questions

What is the IUPAC name of methylcarbamic acid;methyl N-(3-hydroxyphenyl)carbamate?
The IUPAC name of methylcarbamic acid;methyl N-(3-hydroxyphenyl)carbamate (CID 23619088) is methylcarbamic acid;methyl N-(3-hydroxyphenyl)carbamate.
What is the SMILES notation for methylcarbamic acid;methyl N-(3-hydroxyphenyl)carbamate?
The canonical SMILES for methylcarbamic acid;methyl N-(3-hydroxyphenyl)carbamate is CNC(=O)O.COC(=O)Nc1cccc(O)c1.
What is the InChIKey of methylcarbamic acid;methyl N-(3-hydroxyphenyl)carbamate?
The InChIKey is ABKAVDOCKWZTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3.C2H5NO2/c1-12-8(11)9-6-3-2-4-7(10)5-6;1-3-2(4)5/h2-5,10H,1H3,(H,9,11);3H,1H3,(H,4,5).
What are the key properties of methylcarbamic acid;methyl N-(3-hydroxyphenyl)carbamate?
methylcarbamic acid;methyl N-(3-hydroxyphenyl)carbamate has a molecular weight of 242.23 g/mol, XLogP of 1.45, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylcarbamic acid;methyl N-(3-hydroxyphenyl)carbamate is sourced from PubChem (CID 23619088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).